Revisiting Phase Diagrams of Two-Mode Phase-Field Crystal Models
In this work, phase diagrams of a modified two-mode phase-field crystal (PFC) that show two-dimensional (2D) and three-dimensional (3D) crystallographic structures were determined by utilizing a free energy minimization method. In this study the modified two-mode PFC model (presented by Asadi and Asle Zaeem, 2015) was used, in which the free energy can be exactly minimized in each stable crystal structure allowing calculation of accurate phase diagrams for two-mode PFC models. Different crystal structures, such as square, triangle, body-centered cubic (bcc), face-centered cubic (fcc), and stripe lattice structures as well as their coexistence regions were considered in the calculations. The model parameters were discussed to calculate phase diagrams that can be used as a guideline by other researchers for studying solidification and solid state phase transformation using two-mode PFC model.
A. Emdadi et al., "Revisiting Phase Diagrams of Two-Mode Phase-Field Crystal Models," Computational Materials Science, vol. 123, pp. 139-147, Elsevier, Oct 2016.
The definitive version is available at https://doi.org/10.1016/j.commatsci.2016.06.018
Materials Science and Engineering
Center for High Performance Computing Research
Keywords and Phrases
Free energy; Graphic methods; Phase diagrams; Body-centered cubic; Crystallographic structure; Free energy minimization; Phase field crystal model; Phase-field crystals; Solid state phase transformation; Three Dimensional (3-d); Two Dimensional (2 D); Crystal structure; Two-mode phase-field crystal
International Standard Serial Number (ISSN)
Article - Journal
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